3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene

C14H15FO2S — CID 15728745

IUPAC3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene
SMILESCOC(OC)c1ccsc1Cc1ccccc1F
InChIInChI=1S/C14H15FO2S/c1-16-14(17-2)11-7-8-18-13(11)9-10-5-3-4-6-12(10)15/h3-8,14H,9H2,1-2H3
InChIKeyIAVIXCRLXBCBHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds5

About 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene

3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene (PubChem CID 15728745) has the molecular formula C14H15FO2S and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene
PubChem CID15728745
Molecular FormulaC14H15FO2S
Molecular Weight266.34 g/mol
Exact Mass266.08
IUPAC Name3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene
SMILESCOC(OC)c1ccsc1Cc1ccccc1F
InChIInChI=1S/C14H15FO2S/c1-16-14(17-2)11-7-8-18-13(11)9-10-5-3-4-6-12(10)15/h3-8,14H,9H2,1-2H3
InChIKeyIAVIXCRLXBCBHR-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene?
The IUPAC name of 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene (CID 15728745) is 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene?
The canonical SMILES for 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene is COC(OC)c1ccsc1Cc1ccccc1F.
What is the InChIKey of 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene?
The InChIKey is IAVIXCRLXBCBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2S/c1-16-14(17-2)11-7-8-18-13(11)9-10-5-3-4-6-12(10)15/h3-8,14H,9H2,1-2H3.
What are the key properties of 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene?
3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene has a molecular weight of 266.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2-[(2-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 15728745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).